UCSF

ZINC20070635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.53 6.34 -83.25 3 3 2 21 227.396 6
Hi High (pH 8-9.5) 1.53 4.04 -32.62 2 3 1 20 226.388 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )